[1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

C59H39N5OPt — CID 165167637

About [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 165167637) has the molecular formula C59H39N5OPt and a molecular weight of 1029.07 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 165167637
• Molecular Formula: C59H39N5OPt
• Molecular Weight: 1029.07 g/mol
• Exact Mass: 1028.28
• IUPAC Name: [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• SMILES: [Pt]=c1n(-c2cc(Oc3ccc4c5ccccc5n(-c5ccc(-c6ccncc6)cn5)c4c3)cc(-c3ccccc3)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C59H39N5O.Pt/c1-4-15-41(16-5-1)46-35-47(62-40-63(56-26-13-12-25-55(56)62)59-50(43-17-6-2-7-18-43)22-14-23-51(59)44-19-8-3-9-20-44)37-49(36-46)65-48-28-29-53-52-21-10-11-24-54(52)64(57(53)38-48)58-30-27-45(39-61-58)42-31-33-60-34-32-42;/h1-39H
• InChIKey: IGDHICAEYJGRSF-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.07
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 165167637) is [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is [Pt]=c1n(-c2cc(Oc3ccc4c5ccccc5n(-c5ccc(-c6ccncc6)cn5)c4c3)cc(-c3ccccc3)c2)c2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is IGDHICAEYJGRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5O.Pt/c1-4-15-41(16-5-1)46-35-47(62-40-63(56-26-13-12-25-55(56)62)59-50(43-17-6-2-7-18-43)22-14-23-51(59)44-19-8-3-9-20-44)37-49(36-46)65-48-28-29-53-52-21-10-11-24-54(52)64(57(53)38-48)58-30-27-45(39-61-58)42-31-33-60-34-32-42;/h1-39H;.

What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

[1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1029.07 g/mol, XLogP of 14.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,6-diphenylphenyl)-3-[3-phenyl-5-[9-(5-pyridin-4-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).